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1691-66-3 | Fluoranthene, 3-fluoro-
CAS No: 1691-66-3 Catalog No: AG001YH9 MDL No:
Product Description
Catalog Number:
AG001YH9
Chemical Name:
Fluoranthene, 3-fluoro-
CAS Number:
1691-66-3
Molecular Formula:
C16H9F
Molecular Weight:
220.2411
IUPAC Name:
3-fluorofluoranthene
InChI:
InChI=1S/C16H9F/c17-15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9H
InChI Key:
HRHXURLOJRZDNK-UHFFFAOYSA-N
SMILES:
Fc1ccc2c3c1cccc3c1c2cccc1
NSC Number:
56687
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.246g/mol
Monoisotopic Mass:
220.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
Literature
| Title | Journal |
|---|---|
| Characterization of monofluorinated polycyclic aromatic compounds by 1H, 13C and 19F NMR spectroscopy. | Magnetic resonance in chemistry : MRC 20050701 |
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